ethyl 3-[(2-pent-4-ynoylpyrazolidin-1-yl)carbonylamino]benzoate

Systemtic Name: ethyl 3-[(2-pent-4-ynoylpyrazolidin-1-yl)carbonylamino]benzoate Openeye Name: ethyl 3-[(2-pent-4-ynoylpyrazolidine-1-carbonyl)amino]benzoate CAS Name: 3-[[oxo-[2-(1-oxopent-4-ynyl)-1-pyrazolidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-pent-4-ynoylpyrazolidine-1-carbonyl)amino]benzoate Traditional Name: 3-[(2-pent-4-ynoylpyrazolidine-1-carbonyl)amino]benzoic acid ethyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)CCC#C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)CCC#C

InChI

InChI=1S/C18H21N3O4/c1-3-5-10-16(22)20-11-7-12-21(20)18(24)19-15-9-6-8-14(13-15)17(23)25-4-2/h1,6,8-9,13H,4-5,7,10-12H2,2H3,(H,19,24)